2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid

C15H19NO5 — CID 114776496

IUPAC2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid
SMILESCC1(C)CN(C(=O)c2ccccc2C(=O)O)CC(CO)O1
InChIInChI=1S/C15H19NO5/c1-15(2)9-16(7-10(8-17)21-15)13(18)11-5-3-4-6-12(11)14(19)20/h3-6,10,17H,7-9H2,1-2H3,(H,19,20)
InChIKeyPSRHGJOQOIVOBQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.00
Rot. Bonds3

About 2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid

2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid (PubChem CID 114776496) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid
PubChem CID114776496
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid
SMILESCC1(C)CN(C(=O)c2ccccc2C(=O)O)CC(CO)O1
InChIInChI=1S/C15H19NO5/c1-15(2)9-16(7-10(8-17)21-15)13(18)11-5-3-4-6-12(11)14(19)20/h3-6,10,17H,7-9H2,1-2H3,(H,19,20)
InChIKeyPSRHGJOQOIVOBQ-UHFFFAOYSA-N
XLogP1.00
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone
CID 107036511
(2-ethoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778977
(2,4-diaminophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776081
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid
CID 102932282
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 114777165
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781210
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 114778406
(1,5-dimethylpyrrol-2-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778641
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3-dihydroxyphenyl)methanone
CID 114781203
(5-amino-2-chlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776059
(2-bromo-5-methylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114777027
(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780108

Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid?
The IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid (CID 114776496) is 2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid.
What is the SMILES notation for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid?
The canonical SMILES for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid is CC1(C)CN(C(=O)c2ccccc2C(=O)O)CC(CO)O1.
What is the InChIKey of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid?
The InChIKey is PSRHGJOQOIVOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-15(2)9-16(7-10(8-17)21-15)13(18)11-5-3-4-6-12(11)14(19)20/h3-6,10,17H,7-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid?
2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid is sourced from PubChem (CID 114776496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).